3-ethoxy-N,N-dimethyl-1,4-dipropylcyclopenta-2,4-dien-1-amine

C15H27NO — CID 10823806

IUPAC3-ethoxy-N,N-dimethyl-1,4-dipropylcyclopenta-2,4-dien-1-amine
SMILESCCCC1=CC(CCC)(N(C)C)C=C1OCC
InChIInChI=1S/C15H27NO/c1-6-9-13-11-15(10-7-2,16(4)5)12-14(13)17-8-3/h11-12H,6-10H2,1-5H3
InChIKeySZUOLTQTWAXBFK-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.75
Rot. Bonds7

About 3-ethoxy-N,N-dimethyl-1,4-dipropylcyclopenta-2,4-dien-1-amine

3-ethoxy-N,N-dimethyl-1,4-dipropylcyclopenta-2,4-dien-1-amine (PubChem CID 10823806) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-ethoxy-N,N-dimethyl-1,4-dipropylcyclopenta-2,4-dien-1-amine.

Molecular Properties

Compound Name3-ethoxy-N,N-dimethyl-1,4-dipropylcyclopenta-2,4-dien-1-amine
PubChem CID10823806
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name3-ethoxy-N,N-dimethyl-1,4-dipropylcyclopenta-2,4-dien-1-amine
SMILESCCCC1=CC(CCC)(N(C)C)C=C1OCC
InChIInChI=1S/C15H27NO/c1-6-9-13-11-15(10-7-2,16(4)5)12-14(13)17-8-3/h11-12H,6-10H2,1-5H3
InChIKeySZUOLTQTWAXBFK-UHFFFAOYSA-N
XLogP3.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N,N-dimethyl-1,4-dipropylcyclopenta-2,4-dien-1-amine?
The IUPAC name of 3-ethoxy-N,N-dimethyl-1,4-dipropylcyclopenta-2,4-dien-1-amine (CID 10823806) is 3-ethoxy-N,N-dimethyl-1,4-dipropylcyclopenta-2,4-dien-1-amine.
What is the SMILES notation for 3-ethoxy-N,N-dimethyl-1,4-dipropylcyclopenta-2,4-dien-1-amine?
The canonical SMILES for 3-ethoxy-N,N-dimethyl-1,4-dipropylcyclopenta-2,4-dien-1-amine is CCCC1=CC(CCC)(N(C)C)C=C1OCC.
What is the InChIKey of 3-ethoxy-N,N-dimethyl-1,4-dipropylcyclopenta-2,4-dien-1-amine?
The InChIKey is SZUOLTQTWAXBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-6-9-13-11-15(10-7-2,16(4)5)12-14(13)17-8-3/h11-12H,6-10H2,1-5H3.
What are the key properties of 3-ethoxy-N,N-dimethyl-1,4-dipropylcyclopenta-2,4-dien-1-amine?
3-ethoxy-N,N-dimethyl-1,4-dipropylcyclopenta-2,4-dien-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N,N-dimethyl-1,4-dipropylcyclopenta-2,4-dien-1-amine is sourced from PubChem (CID 10823806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).